中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [2]
物理研究所 [1]
国家空间科学中心 [1]
计算机网络信息中心 [1]
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OAI收割 [4]
iSwitch采集 [1]
内容类型
期刊论文 [5]
发表日期
2023 [1]
2018 [1]
2011 [1]
2008 [2]
学科主题
空间物理 [1]
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Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2023, 卷号: 826, 页码: 6
作者:
Li, Yongle
;
Xu, Feng
;
Hou, Long
;
Sun, Luchao
;
Su, Haijun
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/01/07
Molecular dynamics
Atomic cluster expansion
Fe-Co Alloy
Density functional theory
Phase transition
Force field
Ce screen: an energy-based structure screening automatic workflow
期刊论文
iSwitch采集
Computational materials science, 2018, 卷号: 143, 页码: 55-62
作者:
Wang, Zongguo
;
Yang, Xiaoyu
;
Wang, Ligen
;
Wang, Juan
;
Zhang, Mingming
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2019/05/09
Cluster expansion
High-throughput screening
First principles calculation
Matcloud
A theoretical study on the temperature dependence of zero-field splitting for the tetragonal Cr(3+) center in MgO crystal
期刊论文
OAI收割
Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2011, 卷号: 78, 期号: 2, 页码: 818-820
W. C. Zheng
;
G. M. Jia
;
L. He
;
W. Q. Yang
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2012/04/13
Electron paramagnetic resonance
Crystal- and ligand-field theory
Thermal effect
MgO
Cr(3+)
spin-hamiltonian parameters
debye temperature
thermal-expansion
resonance
znsif6.6h2o
ions
impurities
pressure
cluster
solids
Near-Earth substorm features from multiple satellite observations
期刊论文
OAI收割
Journal of Geophysical Research-Space Physics, 2008, 卷号: 113, 期号: A7, 页码: A07S26
Lui, A. T. Y.
;
Volwerk, M.
;
Dunlop, M. W.
;
Alexeev, I. V.
;
Fazakerley, A. N.
;
Walsh, A. P.
;
Lester, M.
;
Grocott, A.
;
Mouikis, C.
;
Henderson, M. G.
;
Kistler, L. M.
;
Shen, C.
;
Shi, J. K.
;
Zhang, T. L.
;
Reme, H.
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2014/04/30
tail current disruption
field line resonances
plasma sheet dynamics
geotail satellite
current wedge
expansion
cluster
event
onset
magnetotail
Local configuration interaction single excitation approach: Application to singlet and triplet excited states structure for conjugated chains
期刊论文
OAI收割
SYNTHETIC METALS, 2008, 卷号: 158, 期号: 8-9, 页码: 330
Li, QX
;
Li, QK
;
Shuai, ZG
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2013/09/18
COUPLED-CLUSTER THEORY
SYMMETRY-ADAPTED-CLUSTER
WAVE-FUNCTION
ELECTRON CORRELATION
ORBITAL THEORY
OPEN-SHELL
LARGE MOLECULES
EXPANSION
POLYMERS
DENSITY